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Volumn 18, Issue 26, 1999, Pages 5447-5459

Half-sandwich group 4 metal siloxy and silsesquioxane complexes: Soluble model systems for silica-grafted olefin polymerization catalysts

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[No Author keywords available]

Indexed keywords


EID: 0000020407     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om9904495     Document Type: Article
Times cited : (122)

References (121)
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    • Several silsesquioxanes have found to be sensitive to nucleophilic attack. For example see: (a) Feher, F. J.; Budzichowski, T. A.; Rahimian, K.; Ziller, J. W. J. Am. Chem. Soc. 1992, 114, 3859. (b) Feher, F. J.; Rahimian, K.; Budzichowski, T. A.; Ziller, J. W. Organometallics 1995, 14, 3920. (c) Day, V. W.; Klemperer, W. G.; Mainz, V. V.; Millar, D. M. J. Am. Chem. Soc. 1985, 707, 8262.
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    • Several silsesquioxanes have found to be sensitive to nucleophilic attack. For example see: (a) Feher, F. J.; Budzichowski, T. A.; Rahimian, K.; Ziller, J. W. J. Am. Chem. Soc. 1992, 114, 3859. (b) Feher, F. J.; Rahimian, K.; Budzichowski, T. A.; Ziller, J. W. Organometallics 1995, 14, 3920. (c) Day, V. W.; Klemperer, W. G.; Mainz, V. V.; Millar, D. M. J. Am. Chem. Soc. 1985, 707, 8262.
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    • Introduction of bulky trimethylsilyl substituants on the cyclopentadienyl liganda significantly improved the selectivity of the reactions.
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    • Poor crystallinity is a general characteristic of silsesquioxane compounds: (a) Feher, F. J. J. Am. Chem. Soc. 1986, 108, 3850. (b) Feher, F. J.; Budzichowski, T. A.; Ziller, J. W. Inorg. Chem. 1992, 31, 5100. (c) Buys, I. E.; Hambley, T. W.; Houlton, D. J.; Maschmeyer, T.; Masters, A. F.; Smith, A. K. J. Mol. Catal. 1994, 86, 309.
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    • 2MgCl) of the chloride complexes 6-9 did not afford well-defined products.
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    • Conditions: 20 mmol of MAO; 20 μmol of catalyst; 5 atm of ethylene, 80°C, 7 min. Observed activities range between 0.4 and 1.2 kg of PE/ (mmol[cat] h atm), based on the polymer yield after 7 min.
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    • 3N/MAO are known styrene polymerization catalysts, indicating that Ti-O bonds can be split by MAO: (a) Chien, J. C. W.; Salajka, Z. J. Polym. Sci., Part A: Polym. Chem. 1991, 29, 1253. (b) Kim, Y.; Hong, E.; Lee, M. H.; Kim, J.; Han, Y.; Do, Y. Organometallics 1999, 18, 36.
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    • 3N/MAO are known styrene polymerization catalysts, indicating that Ti-O bonds can be split by MAO: (a) Chien, J. C. W.; Salajka, Z. J. Polym. Sci., Part A: Polym. Chem. 1991, 29, 1253. (b) Kim, Y.; Hong, E.; Lee, M. H.; Kim, J.; Han, Y.; Do, Y. Organometallics 1999, 18, 36.
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    • 8) were not very informative, as broad signals were observed at both -45 and +25°C.
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    • As input for the calculations, force field optimized structures of the ligands were used, to which a Ti atom was attached at 1.85 Å, with a Si-O-Ti angle of 180°. The cone angles were calculated using a modified version of Steric: Taverner, B. C. J. Comput. Chem. 1996, 14, 1612.
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    • Manuscript in preparation
    • a, values and calculated deprotonation energies of silsesquioxanes will be reported elsewhere: Harmsen, R. J.; Duchateau, R.; Krijnen, S.; van Santen, R. A. Manuscript in preparation.
    • Harmsen, R.J.1    Duchateau, R.2    Krijnen, S.3    Van Santen, R.A.4
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    • To reduce DFT calculation time, the silsesquioxane cyclopentyl substituents were replaced by hydrogens.
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    • No higher metric lattice symmetry or extra metric symmetry elements were found: (a) Spek, A. L. J. Appl. Crystallogr. 1988, 21, 578. (b) Le Page, Y. J. Appl. Crystallogr. 1987,20, 264. (c) Le Page, Y. J. Appl. Crystallogr. 1988, 21, 983.
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